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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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a4a1f7e848
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more IWYU cleanup
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2020-09-02 23:49:17 -04:00 |
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e24feab5aa
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whitespace fix
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2020-03-11 09:08:40 -04:00 |
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1ee67c20d9
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comments
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2020-03-05 11:57:01 +01:00 |
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ca89c460bf
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remove space
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2020-03-05 11:49:02 +01:00 |
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022dd4a4e4
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special v evaluation to limite dtv each time v is zeroed
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2020-03-05 11:39:48 +01:00 |
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27fdbfa8a1
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minor modification of halfstepback with correct dt
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2020-03-05 10:49:39 +01:00 |
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c732ccc0f8
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remove trailing whitespace
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2020-01-30 17:02:06 -05:00 |
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426ca97aa6
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correct bug introduced in previous commit
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2020-01-29 17:53:10 +01:00 |
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1e7f09bded
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removing deprecated functions in log comment
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2020-01-29 17:50:56 +01:00 |
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197ba62cd9
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Change fire to fire/old and fire2 to fire. Implement normstyle in fire. Update author affiliation.
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2020-01-28 14:51:23 +01:00 |
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1074884f74
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Commit JT 110419
- removed fmax uninitialized variable from min_cg.cpp
- removed tabs from comments
- initialized fdotf variables
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2019-11-04 09:04:43 -07:00 |
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5f39771f28
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use fdotf consistently and not fdotfloc.
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2019-10-25 15:24:17 -04:00 |
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a54f191c2a
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revert changes to force tolerance computations
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2019-10-25 15:06:19 -04:00 |
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661238f627
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try to fix code processing norms for minimizers that looked incorrect
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2019-10-14 16:40:24 +02:00 |
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d9306a5865
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Commit JT 092419
- added inf norm option
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2019-09-24 13:58:56 -06:00 |
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56e1a05287
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Commit JT 092319
- modified norm input in min_modify
- corrected doc/src/min_modify.txt
- added expression of the norms
- added a min max method in src/min.h
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2019-09-23 11:12:31 -06:00 |
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b5621b2c90
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Merge branch 'master' of github.com:alxvov/lammps into OSO
Conflicts:
src/SPIN/neb_spin.cpp
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2019-07-30 09:14:49 -06:00 |
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c5b7a36eeb
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Commit JT 072619
- added a min_style option for norm type (euclidean or Max)
- adapted and tested spin minimizers
- adapted (net tested) regular minimizers
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2019-07-26 17:33:49 -06:00 |
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256531a29a
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put implementation header first for all remaining main folder source files
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2019-07-03 19:34:13 -04:00 |
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96744c4933
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more include file cleanup
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2019-06-30 15:53:17 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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d55f968432
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-17 23:48:15 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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cee848f948
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-22 22:06:49 +00:00 |
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ce59e32d1c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-28 20:00:56 +00:00 |
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89a4708824
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11381 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 22:22:56 +00:00 |
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b4608b636e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 20:27:48 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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e4974ae9af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-04-12 22:32:17 +00:00 |
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19e8c92a90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-23 18:06:55 +00:00 |
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82ec94916d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-11 00:41:00 +00:00 |
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2b8ae7a82f
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Added tad example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5477 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-05 00:30:27 +00:00 |
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c0ca611a19
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5451 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-03 22:42:04 +00:00 |
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6a22fc7748
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-05 20:49:59 +00:00 |
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b511a75575
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5217 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-05 15:57:43 +00:00 |
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f97280116a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4915 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-30 22:28:15 +00:00 |
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c40b3cb2a8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4906 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-30 18:20:52 +00:00 |
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